![4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid structure](/static/products/4445/444546-85-4.webp)
4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid
TL;DR: 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid (CAS 444546-85-4) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzoic acid
Also Known As: 4-{2-cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 1.05438 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 555.5318 |
Chemical Identifiers
| CAS Number | 444546-85-4 |
|---|---|
| SMILES | COCCNC(=O)/C(=C\C1=CC=C(C=C1)C(=O)O)/C#N |
Product Overview
4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid (CAS 444546-85-4), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: 4-[(Z)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid
Property Insights of 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid
The XLogP value of 1.05438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
The CAS number of 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid is 444546-85-4.
What is the molecular formula of 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
The molecular formula of 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid is C14H14N2O4.
What is the molecular weight of 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
The molecular weight of 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid is 274.10 g/mol.
Where can I buy 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
You can request a quote for 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-Cyano-2-[(2-methoxyethyl)carbamoyl]eth-1-en-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.